SCHEMBL6810837

SCHEMBL6810837

Cc1cccc(CNC(=O)NCCCC(=O)NCC(=O)NC(CC(=O)OC(=O)C(F)(F)F)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 5/20 0.48
ITGB6 P18564 4/20 0.48
ITGB1 P05556 1/20 0.48
ITGA5 P08648 1/20 0.48
ITGB3 P05106 4/20 0.45
ITGB5 P18084 3/20 0.45
ITGA2B P08514 2/20 0.45
NPY1R P25929 1/20 0.36
PPID Q08752 2/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
FOLH1 Q04609 1/20 0.35
HPGD P15428 1/20 0.35
ROCK2 O75116 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6806854 0.98 ITGAV (0.46) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6804616 0.92 ITGAV (0.48) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6807825 0.92 ITGAV (0.45) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6811461 0.89 ITGAV (0.46) ITGAVITGB6ITGB1ITGA5ITGB3
Trifluoroacetic Acid SCHEMBL6810833 0.89 ITGAV (0.59) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6805761 0.88 ITGAV (0.46) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6806157 0.88 ITGAV (0.47) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6545752 0.87 ITGAV (0.56) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6810558 0.87 CASR (0.44) ITGAVITGB6ITGB1ITGA5ITGB3
SCHEMBL6803228 0.87 ITGAV (0.43) ITGAVITGB6ITGB1ITGA5ITGB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin MERCK PATENT GMBH (DE) 2004-07-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040142877-A1 Ligands of the $g(a)v$g(b)6 integrin ITGB6, ITGAV, ITGB1 ITGAV 2/4885ITGB6 1/4885ITGB1 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.